Geometry & MOs

Info

ID:	364187
PubChem CID:	127314485
Reduced:	OSN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	18.13
Dipole, Da:	5.5
IP(EA), eV:	-8.48(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-morpholin-4-yl-3H-benzimidazol-5-yl)thiane-4-carboxamide

Drug info:

PubChemData

Smile

C1CSCCC1C(=O)NC2=NNC(=C2)C3=CC=CC=C3

DOS

IR

Vibrations